CID 107203

(2-methylbutyl)benzene

Structural Information

Molecular Formula
C11H16
SMILES
CCC(C)CC1=CC=CC=C1
InChI
InChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey
IFDLFCDWOFLKEB-UHFFFAOYSA-N
Compound name
2-methylbutylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3128
Patents

148.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 133.2
[M+Na]+ 171.114418 139.5
[M-H]- 147.117924 136.5
[M+NH4]+ 166.159023 154.6
[M+K]+ 187.088358 137.7
[M+H-H2O]+ 131.122460 127.6
[M+HCOO]- 193.123401 156.1
[M+CH3COO]- 207.139051 178.4
[M+Na-2H]- 169.099866 139.2
[M]+ 148.12465142 133.2
[M]- 148.12574858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe